2-[2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]ethanenitrile

Systemtic Name: 2-[2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]ethanenitrile Openeye Name: 2-(2,6-dioxo-3,7-dihydropurin-8-yl)acetonitrile CAS Name: 2-(2,6-dioxo-3,7-dihydropurin-8-yl)acetonitrile IUPAC Name: 2-(2,6-dioxo-3,7-dihydropurin-8-yl)acetonitrile Traditional Name: 2-(2,6-diketo-3,7-dihydropurin-8-yl)acetonitrile Formula: C7H5N5O2 MolecularWeight: 191.1469

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Descriptors Computed from Structure

Canonical SMILES:

C(C#N)C1=NC2=C(N1)C(=O)NC(=O)N2

Isomeric SMILES

C(C#N)C1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChI=1S/C7H5N5O2/c8-2-1-3-9-4-5(10-3)11-7(14)12-6(4)13/h1H2,(H3,9,10,11,12,13,14)